m-Iodohippuric acid

Base Information

• Chemical Name: m-Iodohippuric acid
• CAS No.: 52386-94-4
• Molecular Formula: C9H8INO3
• Molecular Weight: 305.072
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80200400
• Nikkaji Number: J59.839I
• Wikidata: Q83073506
• Mol file: 52386-94-4.mol

Synonyms:m-Iodohippuric acid;52386-94-4;2-[(3-iodobenzoyl)amino]acetic acid;N-(3-Iodobenzoyl)glycine;m-Iodohippurate;Glycine, N-(3-iodobenzoyl)-;Glycine, N-(3-iodobenzoyl)- (9CI);(3-Iodobenzoyl)glycine;BRN 1967705;HIPPURIC ACID, m-IODO-;starbld0037920;Oprea1_353370;Oprea1_577201;DTXSID80200400;AKOS001485581;LS-75819;EU-0035899;SR-01000410074;A1-05946;SR-01000410074-1

Chemical Property of m-Iodohippuric acid

Chemical Property:

• Vapor Pressure: 4.67E-10mmHg at 25°C
• Boiling Point: 480.9°Cat760mmHg
• Flash Point: 244.6°C
• PSA: 69.89000
• Density: 1.871g/cm³
• LogP: 1.68040
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 304.95489
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

2-[(3-Iodobenzoyl)amino]acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)C(=O)NCC(=O)O

Technology Process of m-Iodohippuric acid

There total 4 articles about m-Iodohippuric acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

4-methoxybenzyl 2-(3-iodobenzamido)acetate → 2-(3-iodobenzamido)acetic acid (52386-94-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1021/jm400895s

Reference yield: 32.0%

3-iodobenzoyl chloride (1711-10-0) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-(3-iodobenzamido)acetic acid (52386-94-4)

Guidance literature:

With sodium hydroxide; In benzene; for 1h; Ambient temperature;

DOI:10.1021/jm00042a014

Reference yield:

N-(3-Aminobenzoyl)glycine (20938-64-1) → 2-(3-iodobenzamido)acetic acid (52386-94-4)

Guidance literature:

With sulfuric acid; Diazotization_.man behandelt die Diazoloesung mit Jodwasserstoffsaeure;

upstream raw materials:

N-(3-Aminobenzoyl)glycine

3-iodobenzoyl chloride

glycine

Downstream raw materials:

3-iodo-N-{[{[2-(4-methoxy-phenyl)-ethylcarbamoyl]-methyl}-(phenethylcarbamoyl-methyl)-carbamoyl]-methyl}-benzamide